3-(5-Chloro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-L-Alanine

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Properties Simple | Detailed

Formula C7H8ClN3O4++
IUPAC Name (2s)-2-amino-3-(5-chloro-2,4-dioxo-pyrimidin-1-yl)propanoic acid
Molecular Mass 233.609 g·mol−1
Heat of Formation -687.2 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 238.09 Å 3
Surface Area 224.28 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey HEHLSRRDKJVHOM-BYPYZUCNSA-N
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Elements H C N O Cl